N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine

C20H15ClFN7 — CID 53252130

IUPACN-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cn[nH]c2c1-c1cccc(F)c1
InChIInChI=1S/C20H15ClFN7/c1-10(28-20-18-19(24-8-23-18)25-9-26-20)13-6-15(21)14-7-27-29-17(14)16(13)11-3-2-4-12(22)5-11/h2-10H,1H3,(H,27,29)(H2,23,24,25,26,28)
InChIKeyPCGFYKWFDRLQSH-UHFFFAOYSA-N
MW407.84 g/mol
LogP4.86
Rot. Bonds4

About N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine

N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine (PubChem CID 53252130) has the molecular formula C20H15ClFN7 and a molecular weight of 407.84 g/mol. Its IUPAC name is N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine
PubChem CID53252130
Molecular FormulaC20H15ClFN7
Molecular Weight407.84 g/mol
Exact Mass407.11
IUPAC NameN-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cn[nH]c2c1-c1cccc(F)c1
InChIInChI=1S/C20H15ClFN7/c1-10(28-20-18-19(24-8-23-18)25-9-26-20)13-6-15(21)14-7-27-29-17(14)16(13)11-3-2-4-12(22)5-11/h2-10H,1H3,(H,27,29)(H2,23,24,25,26,28)
InChIKeyPCGFYKWFDRLQSH-UHFFFAOYSA-N
XLogP4.86
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine (CID 53252130) is N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cn[nH]c2c1-c1cccc(F)c1.
What is the InChIKey of N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine?
The InChIKey is PCGFYKWFDRLQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN7/c1-10(28-20-18-19(24-8-23-18)25-9-26-20)13-6-15(21)14-7-27-29-17(14)16(13)11-3-2-4-12(22)5-11/h2-10H,1H3,(H,27,29)(H2,23,24,25,26,28).
What are the key properties of N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine?
N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine has a molecular weight of 407.84 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 53252130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).